2-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3-morpholinopropyl)oxazole-4-carboxamide CAS Name: 2-[[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-N-[3-(4-morpholinyl)propyl]-4-oxazolecarboxamide IUPAC Name: 2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(3-morpholinopropyl)oxazole-4-carboxamide Formula: C28H32N6O4S MolecularWeight: 548.65648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CO3)C(=O)NCCCN4CCOCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CO3)C(=O)NCCCN4CCOCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H32N6O4S/c1-36-23-10-8-22(9-11-23)34-25(18-21-6-3-2-4-7-21)31-32-28(34)39-20-26-30-24(19-38-26)27(35)29-12-5-13-33-14-16-37-17-15-33/h2-4,6-11,19H,5,12-18,20H2,1H3,(H,29,35)